%chk=000022071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022071

0 1
 O    2.195700       1.323500      -1.067400    
 O   -1.164000      0.5617000       2.253900    
 O   -4.461600       1.467700     -0.8722000    
 O  -0.7810000      -1.553500      -2.252100    
 N   -2.742600       1.447600      0.7439000    
 N    1.439100      -1.996300      -1.664100    
 N    5.958700      -1.821900       1.575300    
 C   -1.497300       3.397600     -0.1067000    
 C   -2.504600       2.856000      0.9028000    
 C  -0.1224000       2.734600      2.2700001E-02
 C   0.8802000       3.342300     -0.9634000    
 C   -2.055300      0.4602000       1.431500    
 C   -3.687700      0.9108000     -0.1158000    
 C   -2.615400     -0.8130000      0.9797000    
 C   -3.602400     -0.5405000      4.4000000E-02
 C    2.266100       2.722300     -0.8323000    
 C   -2.294700      -2.103300       1.348200    
 C   -4.320800      -1.544100     -0.5727000    
 C    3.112900      0.5393000     -0.4166000    
 C    2.802800     -0.7727000     -5.8499999E-02
 C   -3.010300      -3.136700      0.7367000    
 C   -4.013300      -2.859900     -0.2146000    
 C    1.464400      -1.353300     -0.3754000    
 C    4.367700       1.067400     -0.1127000    
 C    3.747700      -1.556800      0.6033000    
 C    5.002500      -1.028800      0.9073000    
 C    5.312500      0.2832000      0.5492000    
 C   0.3232000      -2.033700      -2.474000    
 H   -1.877500       3.246400      -1.124600    
 H   -1.397800       4.479600      4.1600000E-02
 H   -2.145300       3.042500       1.921200    
 H   -3.455700       3.385100      0.7748000    
 H  -0.2078000       1.663000     -0.1795000    
 H   0.2514000       2.852200       1.046700    
 H   0.9520000       4.424800     -0.8075000    
 H   0.5103000       3.179000      -1.983200    
 H    2.936900       3.176700      -1.570400    
 H    2.633000       2.952000      0.1767000    
 H   -1.522200      -2.316300       2.077700    
 H   -5.091300      -1.331800      -1.304300    
 H   -2.790900      -4.169300      0.9956000    
 H   -4.553400      -3.683000     -0.6753000    
 H    1.192300      -2.113900      0.3667000    
 H   0.6759000     -0.5949000     -0.3222000    
 H    4.663100       2.072100     -0.3996000    
 H    3.508300      -2.580900      0.8814000    
 H    6.289500      0.7032000      0.7745000    
 H    2.269800      -2.493100      -1.973600    
 H    5.734000      -2.772400       1.837400    
 H    6.867600      -1.438500       1.797900    
 H   0.5386000      -2.585900      -3.403600    


%chk=000022071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022071

0 1
O 2.228957 1.214237 -0.533296
O -1.876584 0.784948 2.503159
O -4.238633 1.303209 -1.536299
O -0.764864 -0.460388 -1.101930
N -2.981608 1.384464 0.480645
N 1.292901 -1.526714 -1.463211
N 6.632760 -1.994155 0.991834
C -1.583644 3.279974 -0.427229
C -2.735290 2.835119 0.504807
C -0.197440 2.773473 0.022627
C 0.920536 3.199742 -0.953223
C -2.535857 0.472354 1.478988
C -3.717636 0.728769 -0.546880
C -3.050854 -0.870228 1.057747
C -3.758546 -0.716824 -0.156827
C 2.308039 2.685591 -0.556000
C -2.925736 -2.120212 1.679082
C -4.365458 -1.808268 -0.792459
C 3.368309 0.487689 -0.145633
C 3.160385 -0.905009 0.073838
C -3.533617 -3.234332 1.043347
C -4.243072 -3.080428 -0.174806
C 1.766216 -1.496275 -0.061000
C 4.657464 1.040942 0.027892
C 4.253518 -1.712778 0.448432
C 5.560995 -1.172568 0.618461
C 5.742304 0.220128 0.404645
C 0.099405 -0.976810 -1.868204
H -1.800713 2.926261 -1.453245
H -1.592828 4.389433 -0.461125
H -2.508089 3.100411 1.553728
H -3.674337 3.334014 0.202817
H -0.212785 1.671781 0.082361
H 0.026690 3.152600 1.041130
H 0.974929 4.306576 -1.019726
H 0.683015 2.827237 -1.969299
H 3.074097 3.007237 -1.292934
H 2.603296 3.051078 0.450736
H -2.377319 -2.225030 2.620677
H -4.910604 -1.676474 -1.732437
H -3.457697 -4.227805 1.499223
H -4.704252 -3.957425 -0.642526
H 1.754082 -2.521957 0.355726
H 1.024289 -0.892131 0.490541
H 4.830880 2.110629 -0.122405
H 4.084319 -2.783258 0.627138
H 6.735628 0.665936 0.537143
H 1.936187 -1.876564 -2.176704
H 6.492919 -2.982568 1.175114
H 7.559178 -1.604912 1.134961
H -0.042937 -1.034420 -2.971003


